SCHEMBL51453

SCHEMBL51453

C1CN=C2NCCCN2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.48
USP2 O75604 2/20 0.48
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CHKA P35790 1/20 0.37
HRH1 P35367 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 1/20 0.33
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL17867608 0.98 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL30645723 0.98 INMT (0.47) INMTUSP2NOS3NOS1NOS2
Bromide SCHEMBL16774554 0.98 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL30364285 0.98 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL26605354 0.98 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL4073814 0.95 INMT (0.43) INMTUSP2NOS3NOS1NOS2
SCHEMBL12983671 0.95 INMT (0.48) INMTUSP2NOS3NOS1NOS2
SCHEMBL16549762 0.93 INMT (0.52) INMTUSP2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL17867605 0.93 INMT (0.47) INMTUSP2NOS3NOS1NOS2
SCHEMBL16549761 0.93 USP2 (0.47) INMTUSP2NOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 11155 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747302-A2 REPAIR AND OPTIMIZATION OF NANOCOMPOSITE MATERIALS Nanocore ApS (DK) 2026-05-27 EP claimed
US-12637537-B2 Ambient temperature curable coating and uses therein WASHINGTON STATE UNIVERSITY (US) 2026-05-26 US claimed
US-12637541-B2 Alkylene oxide polymerization using aluminum compounds and cyclic amidines DOW GLOBAL TECHNOLOGIES LLC (US) 2026-05-26 US claimed
US-12637412-B2 Preparation of aromatic carboxyamides by a palladium-catalyzed carbonylation reaction BASF SE (DE) 2026-05-26 US claimed
CN-122060144-A CO (carbon monoxide)2Base thermoplastic polyurethane and preparation method thereof 青岛科技大学 2026-05-19 CN claimed
CN-122059866-A Method for synthesizing amide by using visible light induced amine and carbon dioxide 南京理工大学 2026-05-19 CN claimed
CN-122060433-A Pressure-sensitive adhesive and preparation method and application thereof 南京大学 2026-05-19 CN claimed
CN-122037303-A Recovery method of carbon fiber reinforced epoxy resin matrix composite material 武汉理工大学 2026-05-15 CN claimed
WO-2026099510-A1 RESILIENT MARKER COMPOUNDS MINTON, TREHARNE & DAVIES LIMITED (GB) 2026-05-15 WO claimed
CN-122037244-A Preparation method of wood-plastic composite material reinforced by waste plastic fibers 河南警察学院 2026-05-15 CN claimed
EP-0219317-A1 Condensation of aldehydes The British Petroleum Company p.l.c. (GB) 1987-04-22 EP claimed
EP-0207669-A1 Catalytic production of sulphur-containing cyclic compounds BP Chemicals Limited (GB) 1987-01-07 EP claimed
EP-0206677-A1 Preparation of phenolic ethers BP Chemicals Limited (GB) 1986-12-30 EP claimed
US-4617412-A USING LEWIS BASE CONTAINING CATALYST BP CHEMICALS LIMITED (GB) 1986-10-14 US claimed
US-4617281-A ACTIVATION BY EPOXIDES BP CHEMICALS LIMITED (GB) 1986-10-14 US claimed
EP-0182548-A2 Novel conductive polymers The British Petroleum Company p.l.c. (GB) 1986-05-28 EP claimed
WO-1986002351-A1 PROCESS FOR THE PRODUCTION OF BARBITURATES BP CHEMICALS LIMITED (GB) 1986-04-24 WO claimed
EP-0152241-A2 Transetherification process BP Chemicals Limited (GB) 1985-08-21 EP claimed
EP-0150962-A2 Transesterification process BP Chemicals Limited (GB) 1985-08-07 EP claimed
EP-0150106-A2 Process for the production of 1-alkoxyalkyl esters BP Chemicals Limited (GB) 1985-07-31 EP claimed